3-[cyclopropyl-[3-(quinolin-2-ylsulfonylmethyl)phenyl]methyl]-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one

Systemtic Name: 3-[cyclopropyl-[3-(quinolin-2-ylsulfonylmethyl)phenyl]methyl]-2-oxidanyl-6-(1-phenylbutan-2-yl)pyran-4-one Openeye Name: 6-(1-benzylpropyl)-3-[cyclopropyl-[3-(2-quinolylsulfonylmethyl)phenyl]methyl]-2-hydroxy-pyran-4-one CAS Name: 3-[cyclopropyl-[3-(2-quinolinylsulfonylmethyl)phenyl]methyl]-2-hydroxy-6-(1-phenylbutan-2-yl)-4-pyranone IUPAC Name: 3-[cyclopropyl-[3-(quinolin-2-ylsulfonylmethyl)phenyl]methyl]-2-hydroxy-6-(1-phenylbutan-2-yl)pyran-4-one Traditional Name: 6-(1-benzylpropyl)-3-[cyclopropyl-[3-(2-quinolylsulfonylmethyl)phenyl]methyl]-2-hydroxy-pyran-4-one Formula: C35H33NO5S MolecularWeight: 579.70522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=CC(=C4)CS(=O)(=O)C5=NC6=CC=CC=C6C=C5

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C3CC3)C4=CC=CC(=C4)CS(=O)(=O)C5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C35H33NO5S/c1-2-25(19-23-9-4-3-5-10-23)31-21-30(37)34(35(38)41-31)33(27-15-16-27)28-13-8-11-24(20-28)22-42(39,40)32-18-17-26-12-6-7-14-29(26)36-32/h3-14,17-18,20-21,25,27,33,38H,2,15-16,19,22H2,1H3